Geometry & MOs

Info

ID:	324231
PubChem CID:	126677198
Reduced:	FON6H11C17 (1)
Stoich.:	ABC6D11E17 (1)
Weight, g/mol:	143.094629
ΔH_f, kcal/mol:	59.87
Dipole, Da:	4.21
IP(EA), eV:	-8.84(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aR)-3-methyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[4,3-c][1,4]oxazine

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N)C(=O)N1

DOS

IR

Vibrations